1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one

C21H28N2O3 — CID 155025908

IUPAC1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one
SMILESCNC(CCC(=O)c1ccc(OC)c(OC)c1)(Cc1ccccc1)NC
InChIInChI=1S/C21H28N2O3/c1-22-21(23-2,15-16-8-6-5-7-9-16)13-12-18(24)17-10-11-19(25-3)20(14-17)26-4/h5-11,14,22-23H,12-13,15H2,1-4H3
InChIKeyVDTJNZDEILMXJN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.04
Rot. Bonds10

About 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one

1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one (PubChem CID 155025908) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one
PubChem CID155025908
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one
SMILESCNC(CCC(=O)c1ccc(OC)c(OC)c1)(Cc1ccccc1)NC
InChIInChI=1S/C21H28N2O3/c1-22-21(23-2,15-16-8-6-5-7-9-16)13-12-18(24)17-10-11-19(25-3)20(14-17)26-4/h5-11,14,22-23H,12-13,15H2,1-4H3
InChIKeyVDTJNZDEILMXJN-UHFFFAOYSA-N
XLogP3.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
CID 43321207
2-amino-2-benzyl-1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-one
CID 22019759
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
1-(3-methoxy-4-phenylmethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4049023
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one (CID 155025908) is 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one is CNC(CCC(=O)c1ccc(OC)c(OC)c1)(Cc1ccccc1)NC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one?
The InChIKey is VDTJNZDEILMXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-22-21(23-2,15-16-8-6-5-7-9-16)13-12-18(24)17-10-11-19(25-3)20(14-17)26-4/h5-11,14,22-23H,12-13,15H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one?
1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one has a molecular weight of 356.47 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4,4-bis(methylamino)-5-phenylpentan-1-one is sourced from PubChem (CID 155025908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).